4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
TL;DR: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide (CAS 879449-65-7) is a chemical compound with molecular formula C21H27N3O6S and molecular weight 449.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
Also Known As: 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide, 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide, 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
| Molecular Formula | C21H27N3O6S |
|---|---|
| Molecular Weight | 449.16 g/mol |
| LogP | 3.2052 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.16205 |
| Heavy Atoms | 31 |
| Complexity | 1082.763 |
Chemical Identifiers
| CAS Number | 879449-65-7 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-] |
Product Overview
4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide (CAS 879449-65-7), with molecular formula C21H27N3O6S and molecular weight 449.16 g/mol. IUPAC: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide.
Chemical Property Profile of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
Property Insights of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide
The XLogP value of 3.2052 indicates that 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide. Following Lipinski's Rule of Five, 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide?
The CAS number of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide is 879449-65-7.
What is the molecular formula of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide?
The molecular formula of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide is C21H27N3O6S.
What is the molecular weight of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide?
The molecular weight of 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide is 449.16 g/mol.
Where can I buy 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide?
You can request a quote for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N,N-diethyl-3-nitrobenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.